ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate

C8H12N2O4S — CID 60817082

IUPACethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CSC(=O)N1
InChIInChI=1S/C8H12N2O4S/c1-2-14-6(11)3-9-7(12)5-4-15-8(13)10-5/h5H,2-4H2,1H3,(H,9,12)(H,10,13)
InChIKeyOISJWRWDRUXFOW-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.51
Rot. Bonds4

About ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate

ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate (PubChem CID 60817082) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate
PubChem CID60817082
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Nameethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CSC(=O)N1
InChIInChI=1S/C8H12N2O4S/c1-2-14-6(11)3-9-7(12)5-4-15-8(13)10-5/h5H,2-4H2,1H3,(H,9,12)(H,10,13)
InChIKeyOISJWRWDRUXFOW-UHFFFAOYSA-N
XLogP-0.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65109815
N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 130977762
N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 63253701
ethyl 4,5-dimethyl-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]thiophene-3-carboxylate
CID 43623145
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride
CID 119279987
N-(1-aminobutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65193356
2-methyl-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]butanoic acid
CID 80539296
N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 104981103
ethyl 2-(piperazine-2-carbonylamino)acetate
CID 54250774
ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate
CID 70296848
2-oxo-N-(2-piperidin-4-yloxyethyl)-1,3-thiazolidine-4-carboxamide
CID 55250991

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate (CID 60817082) is ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate is CCOC(=O)CNC(=O)C1CSC(=O)N1.
What is the InChIKey of ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate?
The InChIKey is OISJWRWDRUXFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c1-2-14-6(11)3-9-7(12)5-4-15-8(13)10-5/h5H,2-4H2,1H3,(H,9,12)(H,10,13).
What are the key properties of ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate?
ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate has a molecular weight of 232.26 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate is sourced from PubChem (CID 60817082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).